3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane

C206H303ClF4N32O6S3 — CID 158846241

IUPAC3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
SMILESCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C#CC1CC1.CC(C)(C)C#CCO.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)c1cc(F)c2cn[nH]c2c1.CC(C)(C)c1cc(F)nc(N)n1.CC(C)(C)c1cc(F)nc2[nH]ccc12.CC(C)(C)c1cc(N)nc(F)c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc2[nH]ccc2c1.COc1cc(C(C)(C)C)ccc1Cl.C[C@@H](O)C#CC(C)(C)C
InChIInChI=1S/C13H16N2OS.C11H15ClO.2C11H13FN2.4C11H14N2.C11H15NO.C9H13FN2.C9H14N2OS.C9H14N2.C9H13N.C9H14.C8H12FN3.C8H13N3.C8H14O.C8H18.C7H12N2S.C7H12N2.C7H12O.C7H14/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)7-4-9(12)8-6-13-14-10(8)5-7;1-11(2,3)8-6-9(12)14-10-7(8)4-5-13-10;2*1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-9(2,3)6-4-7(10)12-8(11)5-6;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-4-6(9)12-7(10)11-5;1-8(2,3)6-4-5-10-7(9)11-6;1-7(9)5-6-8(2,3)4;1-7(2,3)8(4,5)6;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-9-5-6;1-7(2,3)5-4-6-8;1-7(2,3)6-4-5-6/h5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3;2*4-6H,1-3H3,(H,13,14);4*4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H,10,11,12);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;8H,4-5H2,1-3H3;4H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);7,9H,1-4H3;1-6H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);8H,6H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;;;;;;;;;7-;;;;;/m................1...../s1
InChIKeyIYWIKRYAOXWLMH-MSFSELNQSA-N
MW3531.55 g/mol
LogP52.56
Rot. Bonds4

About 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane

3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane (PubChem CID 158846241) has the molecular formula C206H303ClF4N32O6S3 and a molecular weight of 3531.55 g/mol. Its IUPAC name is 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
PubChem CID158846241
Molecular FormulaC206H303ClF4N32O6S3
Molecular Weight3531.55 g/mol
Exact Mass3528.32
IUPAC Name3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
SMILESCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C#CC1CC1.CC(C)(C)C#CCO.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)c1cc(F)c2cn[nH]c2c1.CC(C)(C)c1cc(F)nc(N)n1.CC(C)(C)c1cc(F)nc2[nH]ccc12.CC(C)(C)c1cc(N)nc(F)c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc2[nH]ccc2c1.COc1cc(C(C)(C)C)ccc1Cl.C[C@@H](O)C#CC(C)(C)C
InChIInChI=1S/C13H16N2OS.C11H15ClO.2C11H13FN2.4C11H14N2.C11H15NO.C9H13FN2.C9H14N2OS.C9H14N2.C9H13N.C9H14.C8H12FN3.C8H13N3.C8H14O.C8H18.C7H12N2S.C7H12N2.C7H12O.C7H14/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)7-4-9(12)8-6-13-14-10(8)5-7;1-11(2,3)8-6-9(12)14-10-7(8)4-5-13-10;2*1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-9(2,3)6-4-7(10)12-8(11)5-6;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-4-6(9)12-7(10)11-5;1-8(2,3)6-4-5-10-7(9)11-6;1-7(9)5-6-8(2,3)4;1-7(2,3)8(4,5)6;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-9-5-6;1-7(2,3)5-4-6-8;1-7(2,3)6-4-5-6/h5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3;2*4-6H,1-3H3,(H,13,14);4*4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H,10,11,12);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;8H,4-5H2,1-3H3;4H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);7,9H,1-4H3;1-6H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);8H,6H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;;;;;;;;;7-;;;;;/m................1...../s1
InChIKeyIYWIKRYAOXWLMH-MSFSELNQSA-N
XLogP52.56
TPSA610.74 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds4
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003531.55
LogP ≤ 552.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane?
The IUPAC name of 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane (CID 158846241) is 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane?
The canonical SMILES for 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane is CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C#CC1CC1.CC(C)(C)C#CCO.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)c1cc(F)c2cn[nH]c2c1.CC(C)(C)c1cc(F)nc(N)n1.CC(C)(C)c1cc(F)nc2[nH]ccc12.CC(C)(C)c1cc(N)nc(F)c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc2[nH]ccc2c1.COc1cc(C(C)(C)C)ccc1Cl.C[C@@H](O)C#CC(C)(C)C.
What is the InChIKey of 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane?
The InChIKey is IYWIKRYAOXWLMH-MSFSELNQSA-N. The full InChI is InChI=1S/C13H16N2OS.C11H15ClO.2C11H13FN2.4C11H14N2.C11H15NO.C9H13FN2.C9H14N2OS.C9H14N2.C9H13N.C9H14.C8H12FN3.C8H13N3.C8H14O.C8H18.C7H12N2S.C7H12N2.C7H12O.C7H14/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)7-4-9(12)8-6-13-14-10(8)5-7;1-11(2,3)8-6-9(12)14-10-7(8)4-5-13-10;2*1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-9(2,3)6-4-7(10)12-8(11)5-6;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-4-6(9)12-7(10)11-5;1-8(2,3)6-4-5-10-7(9)11-6;1-7(9)5-6-8(2,3)4;1-7(2,3)8(4,5)6;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)6-4-8-9-5-6;1-7(2,3)5-4-6-8;1-7(2,3)6-4-5-6/h5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3;2*4-6H,1-3H3,(H,13,14);4*4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-5H,1-3H3,(H2,11,12);5H,1-4H3,(H,10,11,12);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;8H,4-5H2,1-3H3;4H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);7,9H,1-4H3;1-6H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);8H,6H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;;;;;;;;;7-;;;;;/m................1...../s1.
What are the key properties of 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane?
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane has a molecular weight of 3531.55 g/mol, XLogP of 52.56, 4 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158846241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).